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Home > Pyridines > 334497-75-5
334497-75-5 | 2-[3-Cyano-6-(4-ethoxy-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-N-m-tolyl-acetamide
CAS No: 334497-75-5 Catalog No: AG01EVFO MDL No:
Product Description
Catalog Number:
AG01EVFO
Chemical Name:
2-[3-Cyano-6-(4-ethoxy-phenyl)-4-phenyl-pyridin-2-ylsulfanyl]-N-m-tolyl-acetamide
CAS Number:
334497-75-5
Molecular Formula:
C29H25N3O2S
Molecular Weight:
479.5927
IUPAC Name:
2-[3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
InChI:
InChI=1S/C29H25N3O2S/c1-3-34-24-14-12-22(13-15-24)27-17-25(21-9-5-4-6-10-21)26(18-30)29(32-27)35-19-28(33)31-23-11-7-8-20(2)16-23/h4-17H,3,19H2,1-2H3,(H,31,33)
InChI Key:
NKHXVGWNQPPURA-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)c1nc(SCC(=O)Nc2cccc(c2)C)c(c(c1)c1ccccc1)C#N
Properties
Complexity:
710
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
479.167g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
479.598g/mol
Monoisotopic Mass:
479.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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